Geometry & MOs

Info

ID:	353194
PubChem CID:	127284374
Reduced:	O2N6C17H22 (1)
Stoich.:	A2B6C17D22 (1)
Weight, g/mol:	281.210327
ΔH_f, kcal/mol:	-17.17
Dipole, Da:	3.8
IP(EA), eV:	-9.39(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-methylcyclohexyl)acetyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC=CC=C2)CC(=O)N3CCCN(CC3)C(=O)N

DOS

IR

Vibrations