Geometry & MOs

Info

ID:	365951
PubChem CID:	127319239
Reduced:	N2O2C13H24 (1)
Stoich.:	A2B2C13D24 (1)
Weight, g/mol:	253.215413
ΔH_f, kcal/mol:	-129.65
Dipole, Da:	3.4
IP(EA), eV:	-9.55(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopentylethyl)-4-methyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1CCCC1)NC(=O)N2CCC(CC2)O

DOS

IR

Vibrations