Geometry & MOs

Info

ID:	342184
PubChem CID:	127264897
Reduced:	N5C15H17 (1)
Stoich.:	A5B15C17 (1)
Weight, g/mol:	307.132077
ΔH_f, kcal/mol:	93.94
Dipole, Da:	5.63
IP(EA), eV:	-9.56(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-1-[3-(4-methoxyphenyl)pyrazol-4-ylidene]-N-phenylmethoxymethanamine

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC=NN2)CC3=CC(=CC=C3)C#N

DOS

IR

Vibrations