Geometry & MOs

Info

ID:	186620
PubChem CID:	77456050
Reduced:	FO2N7C22H24 (1)
Stoich.:	AB2C7D22E24 (1)
Weight, g/mol:	462.206719
ΔH_f, kcal/mol:	-23.35
Dipole, Da:	5.48
IP(EA), eV:	-8.79(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)-2-phenylmethoxyethyl]carbamate

Drug info:

PubChemData

Smile

CC1COC2=C(C=CC3=C2N1C(=N3)C(C)NC4=C5C(=NC=N4)N(C=N5)C6CCCCO6)F

DOS

IR

Vibrations