Geometry & MOs

Info

ID:	157996
PubChem CID:	56459385
Reduced:	O3N5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	458.268176
ΔH_f, kcal/mol:	-99.63
Dipole, Da:	8.9
IP(EA), eV:	-8.84(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylbutanoyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC=CN1CC2=CC(=CC=C2)NC(=O)C3CCC4(CC3)C(=O)NC(=O)N4

DOS

IR

Vibrations