Geometry & MOs

Info

ID:	243694
PubChem CID:	99234063
Reduced:	N3O5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	400.197377
ΔH_f, kcal/mol:	-195.1
Dipole, Da:	5.62
IP(EA), eV:	-9.1(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCC[C@H](C2)CNC(=O)OC(C)(C)C)NC(=O)C3=CC=CO3

DOS

IR

Vibrations