Geometry & MOs

Info

ID:	342832
PubChem CID:	127265995
Reduced:	FN2O2C19H19 (1)
Stoich.:	AB2C2D19E19 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-106.87
Dipole, Da:	2.63
IP(EA), eV:	-8.55(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxolan-3-yl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CNC2=CC=CC(=C2)C3CC(=O)NC(=O)C3)F

DOS

IR

Vibrations