Geometry & MOs

Info

ID:	144101
PubChem CID:	53311994
Reduced:	OSN4H14C18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	404.14601
ΔH_f, kcal/mol:	86.22
Dipole, Da:	2.25
IP(EA), eV:	-8.68(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pyridazin-3-yl-4-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NC2=CC=CC(=N2)C3=CN=C(O3)C4=CC=CS4

DOS

IR

Vibrations