Geometry & MOs

Info

ID:	424201
PubChem CID:	135121728
Reduced:	SN2O2C30H44 (1)
Stoich.:	AB2C2D30E44 (1)
Weight, g/mol:	172.074896
ΔH_f, kcal/mol:	-95.95
Dipole, Da:	4.69
IP(EA), eV:	-8.46(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-pyrazol-1-yl-1-pyridin-4-ylmethanimine

Drug info:

PubChemData

Smile

CCOC(=O)NC(=S)N(C1=CC=C(C=C1)C(C)(C)C(C)(C)C)C2=CC=C(C=C2)C(C)(C)C(C)(C)C

DOS

IR

Vibrations