Geometry & MOs

Info

ID:	347502
PubChem CID:	127272357
Reduced:	O2N3C24H29 (1)
Stoich.:	A2B3C24D29 (1)
Weight, g/mol:	397.182398
ΔH_f, kcal/mol:	-67.85
Dipole, Da:	4.74
IP(EA), eV:	-8.64(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NCC2CCCN(C2)C(=O)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations