Geometry & MOs

Info

ID:	133743
PubChem CID:	51585671
Reduced:	N3C21H28 (1)
Stoich.:	A3B21C28 (1)
Weight, g/mol:	411.264768
ΔH_f, kcal/mol:	88.02
Dipole, Da:	3.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753511
Charge, e:	1

Chem-info

IUPAC name:

1-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-4-(4-methylphenyl)piperidin-1-ium-4-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2(CC2)C[NH+]3CCN(CC3)CC4=CN=CC=C4

DOS

IR

Vibrations