Geometry & MOs

Info

ID:	233304
PubChem CID:	89649915
Reduced:	FN4O4C25H29 (1)
Stoich.:	AB4C4D25E29 (1)
Weight, g/mol:	517.30529
ΔH_f, kcal/mol:	-191.82
Dipole, Da:	6.02
IP(EA), eV:	-8.76(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-amino-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1(C[C@H](C2=C(O1)C=C(C=C2)F)NC(=O)NC3=CC4=C(CC(C(=O)N4)N5CCOCC5)C=C3)C

DOS

IR

Vibrations