Geometry & MOs

Info

ID:	151950
PubChem CID:	56310783
Reduced:	SN2O2C23H30 (1)
Stoich.:	AB2C2D23E30 (1)
Weight, g/mol:	463.192963
ΔH_f, kcal/mol:	-54.24
Dipole, Da:	3.6
IP(EA), eV:	-8.61(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CCC(=O)N3CCC4=C(C3)C=CS4

DOS

IR

Vibrations