Geometry & MOs

Info

ID:	350376
PubChem CID:	127277454
Reduced:	NO2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	399.288577
ΔH_f, kcal/mol:	-170.79
Dipole, Da:	5.73
IP(EA), eV:	-9.31(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylbutanoyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3COCCO3

DOS

IR

Vibrations