Geometry & MOs

Info

ID:	342510
PubChem CID:	127265665
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	344.257612
ΔH_f, kcal/mol:	6.69
Dipole, Da:	3.51
IP(EA), eV:	-7.95(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(1,2-dimethylpiperidin-4-yl)amino]phenyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NC=CN=C1)NC2=CC=C(C=C2)NC(=O)N3CCCCCC3

DOS

IR

Vibrations