Geometry & MOs

Info

ID:	441427
PubChem CID:	135234640
Reduced:	F2N2O4C31H32 (1)
Stoich.:	A2B2C4D31E32 (1)
Weight, g/mol:	295.204848
ΔH_f, kcal/mol:	-197.47
Dipole, Da:	9.26
IP(EA), eV:	-8.19(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[6-[C-methyl-N-[(4S)-2,4,6-trimethylcyclohexa-1,5-dien-1-yl]carbonimidoyl]pyridin-2-yl]ethanimine

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C([C@H](N1CC(C)(C)F)C3=C(C=C(C=C3F)C4=CC(=C(C=C4)C(=O)O)OC)OC)NC5=CC=CC=C25

DOS

IR

Vibrations