Geometry & MOs

Info

ID:	320537
PubChem CID:	126661686
Reduced:	NOC5H9 (2)
Stoich.:	ABC5D9 (2)
Weight, g/mol:	319.153206
ΔH_f, kcal/mol:	-92.31
Dipole, Da:	4.9
IP(EA), eV:	-9.31(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[1-(2-nitrophenyl)pyrrolidin-3-yl]methylidene]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N=CC1CCNC1

DOS

IR

Vibrations