Geometry & MOs

Info

ID:	155370
PubChem CID:	56352989
Reduced:	OS2N5C19H19 (1)
Stoich.:	AB2C5D19E19 (1)
Weight, g/mol:	449.231456
ΔH_f, kcal/mol:	65.29
Dipole, Da:	3.31
IP(EA), eV:	-8.16(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN1C=CC2=C1C=CC(=C2)NC(=O)C(C)N3C(=NNC3=S)C4=CC=CS4

DOS

IR

Vibrations