Geometry & MOs

Info

ID:	418314
PubChem CID:	135104180
Reduced:	N5C19H27 (1)
Stoich.:	A5B19C27 (1)
Weight, g/mol:	297.139865
ΔH_f, kcal/mol:	40.89
Dipole, Da:	5.93
IP(EA), eV:	-8.92(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)CCCN4C=CN=C4C

DOS

IR

Vibrations