Geometry & MOs

Info

ID:	154202
PubChem CID:	56313607
Reduced:	N2O2C10H17 (2)
Stoich.:	A2B2C10D17 (2)
Weight, g/mol:	424.208611
ΔH_f, kcal/mol:	-168.24
Dipole, Da:	3.27
IP(EA), eV:	-8.88(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)NCCCN2CCN(CC2)C(=O)OC(C)(C)C

DOS

IR

Vibrations