Geometry & MOs

Info

ID:	354474
PubChem CID:	127287023
Reduced:	O2N5C16H25 (1)
Stoich.:	A2B5C16D25 (1)
Weight, g/mol:	265.153875
ΔH_f, kcal/mol:	-74.27
Dipole, Da:	9.58
IP(EA), eV:	-8.84(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methylimidazol-1-yl)ethyl]-5-oxo-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CN1CCNC(=O)N2CCC(CC2)N3CCCC3=O

DOS

IR

Vibrations