Geometry & MOs

Info

ID:	194954
PubChem CID:	78613041
Reduced:	ClO2N3H14C15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	365.118712
ΔH_f, kcal/mol:	-14.38
Dipole, Da:	1.56
IP(EA), eV:	-8.92(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C=CC(=O)NNC(=O)C2=CC=CN2)Cl

DOS

IR

Vibrations