Geometry & MOs

Info

ID:	410026
PubChem CID:	135082815
Reduced:	ON5C10H13 (1)
Stoich.:	AB5C10D13 (1)
Weight, g/mol:	350.160357
ΔH_f, kcal/mol:	44.25
Dipole, Da:	4.07
IP(EA), eV:	-9.26(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis(benzotriazol-2-ylmethyl)-1,3-dimethylurea

Drug info:

PubChemData

Smile

CNC(=O)N(C)CN1N=C2C=CC=CC2=N1

DOS

IR

Vibrations