Geometry & MOs

Info

ID:	142946
PubChem CID:	53120632
Reduced:	NO2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	366.194343
ΔH_f, kcal/mol:	-92.91
Dipole, Da:	1.27
IP(EA), eV:	-8.93(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-2-propyl-4H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=CC=CC=C2C(=O)N1CC3=CC=CO3)C(=O)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations