Geometry & MOs

Info

ID:	319093
PubChem CID:	126654752
Reduced:	ON2C23H40 (1)
Stoich.:	AB2C23D40 (1)
Weight, g/mol:	365.256609
ΔH_f, kcal/mol:	-74.9
Dipole, Da:	2.22
IP(EA), eV:	-8.62(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[4-[3-[4-(propan-2-ylamino)phenoxy]propoxy]butoxy]butan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)COCCN1CCC(CC1)C2=CC=C(C=C2)CNC(C)(C)C

DOS

IR

Vibrations