Geometry & MOs

Info

ID:	159552
PubChem CID:	57288446
Reduced:	SN4C25H38 (1)
Stoich.:	AB4C25D38 (1)
Weight, g/mol:	380.282764
ΔH_f, kcal/mol:	20.65
Dipole, Da:	5.29
IP(EA), eV:	-8.43(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(dimethylamino)-4-(3,5-dimethyl-N-propylanilino)cyclohexyl]phenol

Drug info:

PubChemData

Smile

CCCC1=C2C[C@@H]3[C@H](CCCN3CCC)C4=C2C(=CC=C4)N1NC(=S)N(CC)CC

DOS

IR

Vibrations