Geometry & MOs

Info

ID:	336502
PubChem CID:	127255509
Reduced:	N2O3C14H14 (2)
Stoich.:	A2B3C14D14 (2)
Weight, g/mol:	360.192818
ΔH_f, kcal/mol:	-96.85
Dipole, Da:	4.95
IP(EA), eV:	-8.87(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]carbamate;hydrochloride

Drug info:

PubChemData

Smile

CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4/C=N/NOC(=O)OCC)C(=O)OC

DOS

IR

Vibrations