Geometry & MOs

Info

ID:	320582
PubChem CID:	126661932
Reduced:	FO2N3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	354.137971
ΔH_f, kcal/mol:	-45.32
Dipole, Da:	4.95
IP(EA), eV:	-8.36(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[(4-fluorophenyl)methyl-prop-2-ynylamino]anilino]-3-oxopropanoate

Drug info:

PubChemData

Smile

CC(=O)NCC(=O)NC1=CC=C(C=C1)N(CC#C)CC2=CC=C(C=C2)F

DOS

IR

Vibrations