Geometry & MOs

Info

ID:	198604
PubChem CID:	79123421
Reduced:	NO2C18H35 (1)
Stoich.:	AB2C18D35 (1)
Weight, g/mol:	359.06515
ΔH_f, kcal/mol:	-150.85
Dipole, Da:	3.16
IP(EA), eV:	-9.41(2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2-bromo-5-chlorophenyl)methanol

Drug info:

PubChemData

Smile

CC(C)C1CCC(CC1)(CN)C2(CCOC(C2)C(C)C)O

DOS

IR

Vibrations