Geometry & MOs

Info

ID:	264088
PubChem CID:	103427368
Reduced:	SN2O2C14H22 (1)
Stoich.:	AB2C2D14E22 (1)
Weight, g/mol:	311.166748
ΔH_f, kcal/mol:	-83.57
Dipole, Da:	6.3
IP(EA), eV:	-8.18(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-amino-5-[(1-methylpiperidin-4-yl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

CCC(=O)C1=C(C(=C(S1)NCC2CCCC2)OC)N

DOS

IR

Vibrations