Geometry & MOs

Info

ID:	243649
PubChem CID:	99233640
Reduced:	N3O4C26H33 (1)
Stoich.:	A3B4C26D33 (1)
Weight, g/mol:	492.234825
ΔH_f, kcal/mol:	-168.25
Dipole, Da:	5.87
IP(EA), eV:	-8.94(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]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=CC=C3

DOS

IR

Vibrations