Geometry & MOs

Info

ID:	129065
PubChem CID:	51068481
Reduced:	N3O3C25H25 (1)
Stoich.:	A3B3C25D25 (1)
Weight, g/mol:	497.231456
ΔH_f, kcal/mol:	-6.47
Dipole, Da:	4.83
IP(EA), eV:	-8.94(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-3-methoxy-N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CCC(=O)N(CC1=CC=CO1)CC2=C(N(N=C2C)C3=CC=CC=C3)OC4=CC=CC=C4

DOS

IR

Vibrations