Geometry & MOs

Info

ID:	206578
PubChem CID:	80268923
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	268.215078
ΔH_f, kcal/mol:	-103.4
Dipole, Da:	3.6
IP(EA), eV:	-9.68(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethylcyclopentyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1(CCCC1)C(=O)NCC(C2CC2)O

DOS

IR

Vibrations