Geometry & MOs

Info

ID:	364875
PubChem CID:	127316347
Reduced:	SN2O3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	397.182398
ΔH_f, kcal/mol:	-79.28
Dipole, Da:	6.31
IP(EA), eV:	-8.72(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)C3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations