Geometry & MOs

Info

ID:	157997
PubChem CID:	56459386
Reduced:	ON2C14H17 (2)
Stoich.:	AB2C14D17 (2)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-42.63
Dipole, Da:	4.3
IP(EA), eV:	-9.09(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetamido-4-methylphenyl)-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=CC(=C3)CN4C=CN=C4C(C)C

DOS

IR

Vibrations