Geometry & MOs

Info

ID:	36575
PubChem CID:	8009044
Reduced:	N2O4C23H29 (1)
Stoich.:	A2B4C23D29 (1)
Weight, g/mol:	236.165054
ΔH_f, kcal/mol:	-107.78
Dipole, Da:	4.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.996385
Charge, e:	1

Chem-info

IUPAC name:

(4-hydroxycyclohexyl)-[(4-methoxyphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)O[C@@H](C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

DOS

IR

Vibrations