Geometry & MOs

Info

ID:	165236
PubChem CID:	74519789
Reduced:	NO5H23C26 (1)
Stoich.:	AB5C23D26 (1)
Weight, g/mol:	358.168128
ΔH_f, kcal/mol:	-104.81
Dipole, Da:	5.45
IP(EA), eV:	-8.7(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylidene]chromen-4-one

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=C2COC3=CC=CC=C3C2=O)OCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations