Geometry & MOs

Info

ID:	131392
PubChem CID:	51199743
Reduced:	OSN2C16H26 (1)
Stoich.:	ABC2D16E26 (1)
Weight, g/mol:	343.225977
ΔH_f, kcal/mol:	-52.63
Dipole, Da:	4.0
IP(EA), eV:	-8.98(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)CN(C)CC2=C(C=CS2)C

DOS

IR

Vibrations