Geometry & MOs

Info

ID:	41100
PubChem CID:	8145240
Reduced:	O3N4C24H30 (1)
Stoich.:	A3B4C24D30 (1)
Weight, g/mol:	405.191323
ΔH_f, kcal/mol:	-72.17
Dipole, Da:	1.39
IP(EA), eV:	-8.05(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[4-(4-methylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC[C@]1(C(=O)N(C(=O)N1)CN2CCN(CC2)C3=CC=CC=C3OCC)C4=CC=CC=C4

DOS

IR

Vibrations