Geometry & MOs

Info

ID:	89739
PubChem CID:	49964211
Reduced:	NOC18H29 (1)
Stoich.:	ABC18D29 (1)
Weight, g/mol:	395.412715
ΔH_f, kcal/mol:	-71.06
Dipole, Da:	2.84
IP(EA), eV:	-8.04(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(hexadecylamino)methyl]-1,2,2-trimethylcyclopentyl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NCC2CCC(C2(C)C)(C)CO

DOS

IR

Vibrations