Geometry & MOs

Info

ID:	130033
PubChem CID:	51074695
Reduced:	N3O3C16H23 (1)
Stoich.:	A3B3C16D23 (1)
Weight, g/mol:	322.179361
ΔH_f, kcal/mol:	-103.29
Dipole, Da:	3.74
IP(EA), eV:	-8.69(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylurea

Drug info:

PubChemData

Smile

C1CCN(C1)CCNC(=O)NCC2COC3=CC=CC=C3O2

DOS

IR

Vibrations