Geometry & MOs

Info

ID:	366521
PubChem CID:	127320037
Reduced:	O2N3C16H29 (1)
Stoich.:	A2B3C16D29 (1)
Weight, g/mol:	282.194343
ΔH_f, kcal/mol:	-110.22
Dipole, Da:	5.84
IP(EA), eV:	-9.05(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetyl-1,4-diazepan-1-yl)-2-(1-hydroxycyclohexyl)ethanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCN(CC1)C(=O)C)N2CCCCCC2

DOS

IR

Vibrations