Geometry & MOs

Info

ID:	19879
PubChem CID:	574535
Reduced:	O2N3C26H45 (1)
Stoich.:	A2B3C26D45 (1)
Weight, g/mol:	431.351178
ΔH_f, kcal/mol:	-80.01
Dipole, Da:	1.45
IP(EA), eV:	-7.93(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-bis[3-(azepan-1-yl)propyl]-3,4-dimethoxyaniline

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N(CCCN2CCCCCC2)CCCN3CCCCCC3)OC

DOS

IR

Vibrations