Geometry & MOs

Info

ID:	140012
PubChem CID:	52630143
Reduced:	BrN2O2C24H33 (1)
Stoich.:	AB2C2D24E33 (1)
Weight, g/mol:	359.199762
ΔH_f, kcal/mol:	-125.89
Dipole, Da:	5.48
IP(EA), eV:	-9.72(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)C1=CC=C(C=C1)CNC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

DOS

IR

Vibrations