Geometry & MOs

Info

ID:	57504
PubChem CID:	22396119
Reduced:	O4N5C13H17 (1)
Stoich.:	A4B5C13D17 (1)
Weight, g/mol:	164.058578
ΔH_f, kcal/mol:	-89.62
Dipole, Da:	2.4
IP(EA), eV:	-9.13(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetonitrile

Drug info:

PubChemData

Smile

CC1(C2(C1(C(OC2CO)N3C=NC4=C(N=CN=C43)N)O)O)C

DOS

IR

Vibrations