Geometry & MOs

Info

ID:	350002
PubChem CID:	127276875
Reduced:	ON2C14H26 (1)
Stoich.:	AB2C14D26 (1)
Weight, g/mol:	252.220164
ΔH_f, kcal/mol:	-72.57
Dipole, Da:	4.21
IP(EA), eV:	-8.82(1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl-(4-propan-2-yl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)N1CCCN(CC1)C(=O)C2CCCC2

DOS

IR

Vibrations