Geometry & MOs

Info

ID:	181931
PubChem CID:	76815101
Reduced:	O3N4C23H28 (1)
Stoich.:	A3B4C23D28 (1)
Weight, g/mol:	458.340947
ΔH_f, kcal/mol:	-65.8
Dipole, Da:	6.71
IP(EA), eV:	-8.95(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-butan-2-ylidene-3,5,6-trimethyl-1H-pyridin-4-yl)-N,5,6-trimethyl-N-(2,3,4,5,6-pentamethylphenyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(C(=O)N)NCC1=NC2=C(N1CC3CCOCC3)C=C(C=C2)OC4=CC=CC=C4

DOS

IR

Vibrations