Geometry & MOs

Info

ID:	296812
PubChem CID:	117594422
Reduced:	NO8C24H25 (1)
Stoich.:	AB8C24D25 (1)
Weight, g/mol:	536.072951
ΔH_f, kcal/mol:	-282.85
Dipole, Da:	6.94
IP(EA), eV:	-8.47(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N,N-bis(2-chloroethyl)ethanamine;methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate;hydrochloride

Drug info:

PubChemData

Smile

CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O

DOS

IR

Vibrations