Geometry & MOs

Info

ID:	243698
PubChem CID:	99234092
Reduced:	N4O5C23H34 (1)
Stoich.:	A4B5C23D34 (1)
Weight, g/mol:	446.25292
ΔH_f, kcal/mol:	-158.7
Dipole, Da:	9.87
IP(EA), eV:	-8.75(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-(3-nitro-4-piperidin-1-ylbenzoyl)piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@@H]1CCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

DOS

IR

Vibrations