Geometry & MOs

Info

ID:	274076
PubChem CID:	103806889
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	216.183778
ΔH_f, kcal/mol:	-95.33
Dipole, Da:	2.16
IP(EA), eV:	-9.18(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(aminomethyl)pentan-3-yl]-2-propoxyacetamide

Drug info:

PubChemData

Smile

CCC(CC)(CN)NC(=O)C1=CC2=C(C=C1)NC(=O)CC2

DOS

IR

Vibrations