Geometry & MOs

Info

ID:	198488
PubChem CID:	79108016
Reduced:	Cl2N2O2C15H18 (1)
Stoich.:	A2B2C2D15E18 (1)
Weight, g/mol:	292.215078
ΔH_f, kcal/mol:	-48.4
Dipole, Da:	3.85
IP(EA), eV:	-8.27(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,5-dimethylpyrrol-1-yl)amino]-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(N1NCC(COC2=C(C=CC=C2Cl)Cl)O)C

DOS

IR

Vibrations