Geometry & MOs

Info

ID:	410025
PubChem CID:	135082814
Reduced:	NPO2H13C14 (2)
Stoich.:	ABC2D13E14 (2)
Weight, g/mol:	219.11201
ΔH_f, kcal/mol:	-159.22
Dipole, Da:	4.07
IP(EA), eV:	-8.41(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC12CN(CC1(CN(C2)P3OC4=CC=CC5=C4C(=CC=C5)O3)C)P6OC7=CC=CC8=C7C(=CC=C8)O6

DOS

IR

Vibrations