Geometry & MOs

Info

ID:	151977
PubChem CID:	56310811
Reduced:	FN3O3C22H26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	447.196963
ΔH_f, kcal/mol:	-134.08
Dipole, Da:	4.31
IP(EA), eV:	-8.59(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-[4-(difluoromethoxy)anilino]-1-oxopropan-2-yl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NCC2=CC=CC=C2F)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations