Geometry & MOs

Info

ID:	175950
PubChem CID:	75971865
Reduced:	O3N4C8H16 (1)
Stoich.:	A3B4C8D16 (1)
Weight, g/mol:	472.199822
ΔH_f, kcal/mol:	-37.67
Dipole, Da:	3.34
IP(EA), eV:	-9.74(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[3-(phenylcarbamoyl)-2-(3-phenylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]acetate

Drug info:

PubChemData

Smile

CC1C(CCO1)CNC(=NC)N[N+](=O)[O-]

DOS

IR

Vibrations