Geometry & MOs

Info

ID:	438200
PubChem CID:	135227893
Reduced:	NC3H3 (4)
Stoich.:	AB3C3 (4)
Weight, g/mol:	428.268845
ΔH_f, kcal/mol:	99.33
Dipole, Da:	4.18
IP(EA), eV:	-9.27(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(2E,4Z)-2-butan-2-yl-1-pyridin-2-ylhepta-2,4,6-trienyl]-4-(3,5-dimethyltriazol-4-yl)benzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(N(N=N1)C)C2=CC3=C(C=C2)N=CC3

DOS

IR

Vibrations