Geometry & MOs

Info

ID:	243679
PubChem CID:	99233946
Reduced:	N3O4C21H31 (1)
Stoich.:	A3B4C21D31 (1)
Weight, g/mol:	453.12632
ΔH_f, kcal/mol:	-199.47
Dipole, Da:	2.08
IP(EA), eV:	-9.31(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-[2-[(3-bromobenzoyl)amino]acetyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NCC(=O)N2CCC[C@@H](C2)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations