Geometry & MOs

Info

ID:	84377
PubChem CID:	49866095
Reduced:	ClNOC18H26 (1)
Stoich.:	ABCD18E26 (1)
Weight, g/mol:	384.168522
ΔH_f, kcal/mol:	-62.67
Dipole, Da:	1.19
IP(EA), eV:	-9.34(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)C2(CCNC2)CCC(C)(C)C)Cl

DOS

IR

Vibrations