Geometry & MOs

Info

ID:	432359
PubChem CID:	135172492
Reduced:	INO4C15H22 (1)
Stoich.:	ABC4D15E22 (1)
Weight, g/mol:	326.329714
ΔH_f, kcal/mol:	-132.28
Dipole, Da:	3.21
IP(EA), eV:	-8.19(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-[(3-ethyl-1-propan-2-ylazetidin-3-yl)methyl]-5-methoxy-2,4,4-trimethylpentan-1-amine

Drug info:

PubChemData

Smile

CC(=O)COCCCOCCCOC1=CC=C(C=C1)NI

DOS

IR

Vibrations