Geometry & MOs

Info

ID:	328474
PubChem CID:	126723188
Reduced:	O3N4H14C19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	420.146537
ΔH_f, kcal/mol:	11.49
Dipole, Da:	6.5
IP(EA), eV:	-9.76(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,2E)-N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-3-methyl-2-[(methylideneamino)methylidene]pent-3-enamide

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)C(=O)NC2=NC=C(N=C2)C3=C(C=CC(=C3)C=O)C=O

DOS

IR

Vibrations