Geometry & MOs

Info

ID:	263695
PubChem CID:	103390418
Reduced:	ON2C7H13 (2)
Stoich.:	AB2C7D13 (2)
Weight, g/mol:	266.199428
ΔH_f, kcal/mol:	-89.22
Dipole, Da:	4.92
IP(EA), eV:	-9.09(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-4-N-[(1S)-1-(3-methoxyphenyl)ethyl]pentane-1,4-diamine

Drug info:

PubChemData

Smile

CC(CNC(=O)OC(C)(C)C)NCCC1=CN(N=C1)C

DOS

IR

Vibrations