Geometry & MOs

Info

ID:	69945
PubChem CID:	47205842
Reduced:	N3O4C12H17 (1)
Stoich.:	A3B4C12D17 (1)
Weight, g/mol:	253.142641
ΔH_f, kcal/mol:	-138.64
Dipole, Da:	2.75
IP(EA), eV:	-9.14(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CCCC(=O)NCC(=O)NNC(=O)C1=C(OC=C1)C

DOS

IR

Vibrations