Geometry & MOs

Info

ID:	243740
PubChem CID:	99234503
Reduced:	N2O4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	434.216535
ΔH_f, kcal/mol:	-173.09
Dipole, Da:	1.81
IP(EA), eV:	-8.79(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[(2R)-2-[(3-nitrobenzoyl)amino]propanoyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@H]1CCCN(C1)C(=O)/C=C/C2=CC=C(C=C2)OC

DOS

IR

Vibrations