Geometry & MOs

Info

ID:	290669
PubChem CID:	109817045
Reduced:	O2F3N4C19H27 (1)
Stoich.:	A2B3C4D19E27 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-218.38
Dipole, Da:	7.45
IP(EA), eV:	-9.19(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[ethylamino-[(1-propanoylpyrrolidin-3-yl)amino]methylidene]amino]-N-(3-ethynylphenyl)acetamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NCCOC2=CC=CC(=C2)C(F)(F)F)NCC

DOS

IR

Vibrations