Geometry & MOs

Info

ID:

214447

PubChem CID:

85083050

Reduced:

C20H27 (2)

Stoich.:

A20B27 (2)

Weight, g/mol:

534.251002

ΔHf, kcal/mol:

47.46

Dipole, Da:

1.75

IP(EA), eV:

 -7.84(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4-carbamimidoylphenyl)methyl]-1-chloro-8-methyl-4-oxo-3-(3-phenylpropylamino)-8-propyl-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C)CCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C

DOS

IR

Vibrations