Geometry & MOs

Info

ID:	296831
PubChem CID:	117595318
Reduced:	O4H12C15 (2)
Stoich.:	A4B12C15 (2)
Weight, g/mol:	437.050819
ΔH_f, kcal/mol:	-128.09
Dipole, Da:	6.97
IP(EA), eV:	-9.19(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N,N-bis(2-chloroethyl)ethanamine;ethyl 2,4-dihydroxy-6-methylbenzoate;hydrochloride

Drug info:

PubChemData

Smile

CC1=CCC2=C(C=C3C(=C2O)C(=O)C=C(O3)C)OC1.C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O

DOS

IR

Vibrations