Geometry & MOs

Info

ID:	158068
PubChem CID:	56462765
Reduced:	N2O3C25H32 (1)
Stoich.:	A2B3C25D32 (1)
Weight, g/mol:	435.252192
ΔH_f, kcal/mol:	-118.68
Dipole, Da:	4.99
IP(EA), eV:	-8.83(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(tert-butylcarbamoyl)phenyl]-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C(C)NC(=O)C2CC3=CC=CC=C3CN2C(=O)CC(C)C

DOS

IR

Vibrations