Geometry & MOs

Info

ID:	337540
PubChem CID:	127258163
Reduced:	Cl2N3C7H13 (1)
Stoich.:	A2B3C7D13 (1)
Weight, g/mol:	335.184506
ΔH_f, kcal/mol:	-42.15
Dipole, Da:	0.66
IP(EA), eV:	-9.28(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[cyclopropyl-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]amino]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1)NN)C.Cl.Cl

DOS

IR

Vibrations