Geometry & MOs

Info

ID:	368991
PubChem CID:	127331095
Reduced:	OF3N5C14H20 (1)
Stoich.:	AB3C5D14E20 (1)
Weight, g/mol:	358.236876
ΔH_f, kcal/mol:	-171.93
Dipole, Da:	3.03
IP(EA), eV:	-9.36(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1-hydroxycycloheptyl)methyl]urea

Drug info:

PubChemData

Smile

CN(CC1=NC=CN=C1)C(=O)NC2CCN(CC2)CC(F)(F)F

DOS

IR

Vibrations