Geometry & MOs

Info

ID:	435610
PubChem CID:	135191940
Reduced:	NO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	181.121512
ΔH_f, kcal/mol:	-116.39
Dipole, Da:	5.86
IP(EA), eV:	-9.62(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,6S)-6-amino-3-[(Z)-but-2-enylidene]-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

CN(CCCCC=C)C(=O)C1C[C@@H]2C[C@H]1C(=O)O2

DOS

IR

Vibrations