Geometry & MOs

Info

ID:	290595
PubChem CID:	109760858
Reduced:	FIO2N4C20H34 (1)
Stoich.:	ABC2D4E20F34 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-79.17
Dipole, Da:	1.8
IP(EA), eV:	-8.94(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[[C-(3-imidazol-1-yl-4-methylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]benzoate

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OCC2CC2)F)NC(=NC)NCCN(C)CCOC.I

DOS

IR

Vibrations