Geometry & MOs

Info

ID:	14302
PubChem CID:	408541
Reduced:	NOCl2C21H27 (1)
Stoich.:	ABC2D21E27 (1)
Weight, g/mol:	379.14697
ΔH_f, kcal/mol:	-50.24
Dipole, Da:	3.43
IP(EA), eV:	-8.91(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bis(2-chloroethyl)aminomethyl]-4-tert-butyl-6-phenylphenol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C(=C1)C2=CC=CC=C2)O)CN(CCCl)CCCl

DOS

IR

Vibrations