Geometry & MOs

Info

ID:	258230
PubChem CID:	103152115
Reduced:	N2O3C16H26 (1)
Stoich.:	A2B3C16D26 (1)
Weight, g/mol:	263.199762
ΔH_f, kcal/mol:	-105.07
Dipole, Da:	4.16
IP(EA), eV:	-8.15(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-4-(4-phenylpiperazin-1-yl)butan-1-amine

Drug info:

PubChemData

Smile

COC1=C(C=C2CN(CCC2=C1)CCC(CN)OC)OC

DOS

IR

Vibrations