Geometry & MOs

Info

ID:	313287
PubChem CID:	126613491
Reduced:	FO4N7C23H26 (1)
Stoich.:	AB4C7D23E26 (1)
Weight, g/mol:	431.212826
ΔH_f, kcal/mol:	-105.64
Dipole, Da:	2.6
IP(EA), eV:	-9.19(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]pyridin-2-yl]ethanimine

Drug info:

PubChemData

Smile

COC1=CN=C2C=CC(=C(C2=N1)CN[C@H]3CC[C@@H](C[C@H]3O)NCC4=CN=C5C(=N4)NC(=O)CO5)F

DOS

IR

Vibrations