Geometry & MOs

Info

ID:	275233
PubChem CID:	103814725
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	269.152812
ΔH_f, kcal/mol:	-42.2
Dipole, Da:	5.26
IP(EA), eV:	-8.95(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylpyrrol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NCC1=CN(C=C1)C)N

DOS

IR

Vibrations