Geometry & MOs

Info

ID:	290201
PubChem CID:	104418680
Reduced:	ON2C16H34 (1)
Stoich.:	AB2C16D34 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	-113.79
Dipole, Da:	2.4
IP(EA), eV:	-8.94(1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[[3-(2-methylpropylamino)-3-oxopropyl]amino]methyl]benzoate

Drug info:

PubChemData

Smile

CCCCCCCC(C)NCCC(=O)NCC(C)C

DOS

IR

Vibrations