Geometry & MOs

Info

ID:	129091
PubChem CID:	51069825
Reduced:	N3O4C31H33 (1)
Stoich.:	A3B4C31D33 (1)
Weight, g/mol:	457.182398
ΔH_f, kcal/mol:	-55.23
Dipole, Da:	6.41
IP(EA), eV:	-8.87(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC2=C(C(=NN2C)C3=CC=CC=C3)CN(CC4CCCO4)C(=O)C5=CC(=CC=C5)OC

DOS

IR

Vibrations