Geometry & MOs

Info

ID:	185901
PubChem CID:	77366674
Reduced:	O4N5C20H25 (1)
Stoich.:	A4B5C20D25 (1)
Weight, g/mol:	476.158351
ΔH_f, kcal/mol:	-109.76
Dipole, Da:	4.98
IP(EA), eV:	-8.96(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl [4-(1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-6-yl)phenyl] carbonate;but-2-enedioic acid

Drug info:

PubChemData

Smile

CN1C(CC(=O)N(C1=O)C)N2CCN(CC2)CCOC(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations