Geometry & MOs

Info

ID:	433160
PubChem CID:	135173297
Reduced:	IOC18H37 (1)
Stoich.:	ABC18D37 (1)
Weight, g/mol:	627.631816
ΔH_f, kcal/mol:	-102.16
Dipole, Da:	1.71
IP(EA), eV:	-9.28(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-(3,3-dimethylundecoxy)-2-methylpropyl]phenyl]-5-heptyl-2-methyldodecan-4-amine

Drug info:

PubChemData

Smile

CC(C)C(C)C(C)(C)C(C(C)CC(C)(C)C(C)C)OI

DOS

IR

Vibrations