Geometry & MOs

Info

ID:	167651
PubChem CID:	74852833
Reduced:	ClF2O2N3H18C21 (1)
Stoich.:	AB2C2D3E18F21 (1)
Weight, g/mol:	409.119319
ΔH_f, kcal/mol:	-104.75
Dipole, Da:	2.54
IP(EA), eV:	-9.38(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-[[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxoprop-1-enyl]benzoate

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2=CC=C(C=C2)Cl)NC(=O)C=CC3=CC=C(C=C3)OC(F)F

DOS

IR

Vibrations