Geometry & MOs

Info

ID:	129090
PubChem CID:	51069824
Reduced:	N3O4C26H31 (1)
Stoich.:	A3B4C26D31 (1)
Weight, g/mol:	511.247107
ΔH_f, kcal/mol:	-81.36
Dipole, Da:	7.58
IP(EA), eV:	-8.98(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations