Geometry & MOs

Info

ID:	281219
PubChem CID:	103911520
Reduced:	ClNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-68.83
Dipole, Da:	4.0
IP(EA), eV:	-9.48(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[cyclopropyl(phenyl)methyl]amino]-1-methoxybutan-2-ol

Drug info:

PubChemData

Smile

COCC(CCNC(C1CC1)C2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations