Geometry & MOs

Info

ID:	309295
PubChem CID:	126542806
Reduced:	NO2H21C29 (1)
Stoich.:	AB2C21D29 (1)
Weight, g/mol:	330.09429
ΔH_f, kcal/mol:	14.74
Dipole, Da:	3.34
IP(EA), eV:	-9.19(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[(E)-N-[(E)-1-bromoprop-1-enyl]-C-methylcarbonimidoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1C(=O)CC23C1(CC(=O)C2)C4=CC=CC=C4C5=NC6=CC=CC=C6C(=C35)C7=CC=CC=C7

DOS

IR

Vibrations