Geometry & MOs

Info

ID:	296853
PubChem CID:	117596755
Reduced:	O4C14H17 (2)
Stoich.:	A4B14C17 (2)
Weight, g/mol:	449.050819
ΔH_f, kcal/mol:	-278.86
Dipole, Da:	4.22
IP(EA), eV:	-8.86(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N,N-bis(2-chloroethyl)ethanamine;3-(3,4-dimethoxyphenyl)prop-2-enoic acid;hydrochloride

Drug info:

PubChemData

Smile

CCCC=CC=CC1CC(C(C(=O)C1C=O)O)O.CC(=CCOC1=C(C=C2C=CC(=O)OC2=C1)O)C

DOS

IR

Vibrations