Geometry & MOs

Info

ID:	346986
PubChem CID:	127271490
Reduced:	ON4C19H30 (1)
Stoich.:	AB4C19D30 (1)
Weight, g/mol:	342.151433
ΔH_f, kcal/mol:	-46.99
Dipole, Da:	4.1
IP(EA), eV:	-9.13(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(1H-imidazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)NC(=O)N3CCC(CC3)C4=NC=CN4)C)C

DOS

IR

Vibrations