Geometry & MOs

Info

ID:	49671
PubChem CID:	11533504
Reduced:	ClN2O3C30H33 (1)
Stoich.:	AB2C3D30E33 (1)
Weight, g/mol:	504.240437
ΔH_f, kcal/mol:	-81.98
Dipole, Da:	3.43
IP(EA), eV:	-8.74(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-[3-[4-[[2-(diethylamino)ethyl-methylamino]methyl]anilino]-5-methyl-1,2,4-benzotriazin-7-yl]phenol

Drug info:

PubChemData

Smile

CN(C)C1(CCC(CC1)NC(=O)C2=CC=CC=C2COC(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations