Geometry & MOs

Info

ID:	11711
PubChem CID:	119486
Reduced:	Cl2O2N7C17H25 (1)
Stoich.:	A2B2C7D17E25 (1)
Weight, g/mol:	429.144678
ΔH_f, kcal/mol:	-41.58
Dipole, Da:	4.53
IP(EA), eV:	-8.38(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)Cl)NCC.CN(C)C(=O)NC1=CC(=C(C=C1)OC)Cl

DOS

IR

Vibrations