Geometry & MOs

Info

ID:	435784
PubChem CID:	135192392
Reduced:	ClNC10H12 (1)
Stoich.:	ABC10D12 (1)
Weight, g/mol:	363.31373
ΔH_f, kcal/mol:	29.04
Dipole, Da:	4.23
IP(EA), eV:	-8.25(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-ditert-butyl-4-[3-[(2-hydroxycyclohexyl)amino]propyl]cyclohexa-2,4-dien-1-ol

Drug info:

PubChemData

Smile

CC1C=C(C=C2C1N(C=C2)C)Cl

DOS

IR

Vibrations