Geometry & MOs

Info

ID:	357563
PubChem CID:	127294226
Reduced:	ON2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	387.263425
ΔH_f, kcal/mol:	-101.46
Dipole, Da:	2.45
IP(EA), eV:	-8.55(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(azepan-1-yl)pyridin-4-yl]methyl]-2-(cyclohexylcarbamoylamino)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC(=NC=C1)N2CCCCCC2)NC(=O)C3CCCCC3

DOS

IR

Vibrations