Geometry & MOs

Info

ID:	167514
PubChem CID:	74840874
Reduced:	O2N3C23H29 (1)
Stoich.:	A2B3C23D29 (1)
Weight, g/mol:	421.200156
ΔH_f, kcal/mol:	-29.36
Dipole, Da:	2.17
IP(EA), eV:	-8.52(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-methylpropyl)-3-(4-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)N(CCN2CCOCC2)CC=CC3=CC=CC=C3

DOS

IR

Vibrations