Geometry & MOs

Info

ID:	175000
PubChem CID:	75843703
Reduced:	N5O5C22H23 (1)
Stoich.:	A5B5C22D23 (1)
Weight, g/mol:	377.148789
ΔH_f, kcal/mol:	-73.04
Dipole, Da:	3.43
IP(EA), eV:	-8.27(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea

Drug info:

PubChemData

Smile

CC1=NC2=NC(=NN2C(C1C(=O)N)C3=CC=C(C=C3)O)C4=CC(=C(C(=C4)OC)OC)OC

DOS

IR

Vibrations