Geometry & MOs

Info

ID:	131393
PubChem CID:	51199840
Reduced:	O2N3C20H29 (1)
Stoich.:	A2B3C20D29 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	-95.91
Dipole, Da:	5.76
IP(EA), eV:	-9.46(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-ethylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC(C1C)NC(=O)CN2CC3=CC=CC=C3CC2C(=O)N

DOS

IR

Vibrations