Geometry & MOs

Info

ID:	158079
PubChem CID:	56462787
Reduced:	N3O3C25H31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	417.216475
ΔH_f, kcal/mol:	-110.57
Dipole, Da:	4.95
IP(EA), eV:	-9.41(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylbutanoyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCCNC(=O)CC3=CC=CC=C3

DOS

IR

Vibrations