Geometry & MOs

Info

ID:	152080
PubChem CID:	56310933
Reduced:	N4O4C25H28 (1)
Stoich.:	A4B4C25D28 (1)
Weight, g/mol:	447.196963
ΔH_f, kcal/mol:	-61.06
Dipole, Da:	7.23
IP(EA), eV:	-8.24(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C2=CC=CC=C2)C(=O)NC3=NOC(=C3)C)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations