Geometry & MOs

Info

ID:	154730
PubChem CID:	56314245
Reduced:	BrN2O2C18H21 (1)
Stoich.:	AB2C2D18E21 (1)
Weight, g/mol:	422.229346
ΔH_f, kcal/mol:	-26.87
Dipole, Da:	7.0
IP(EA), eV:	-9.54(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)N2CCCC2C3=CC(=CC=C3)Br

DOS

IR

Vibrations