Geometry & MOs

Info

ID:	56249
PubChem CID:	17422846
Reduced:	N3O4C20H21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	360.195011
ΔH_f, kcal/mol:	-118.47
Dipole, Da:	6.34
IP(EA), eV:	-8.96(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)NCC2=CC(=CC=C2)OC)C3=CC=CC=C3

DOS

IR

Vibrations