Geometry & MOs

Info

ID:	417343
PubChem CID:	135092450
Reduced:	N2C7H8 (3)
Stoich.:	A2B7C8 (3)
Weight, g/mol:	337.188923
ΔH_f, kcal/mol:	106.51
Dipole, Da:	5.62
IP(EA), eV:	-9.26(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)C4=CC=CC=C4)CN(C1)CCN5C=NN=C5

DOS

IR

Vibrations