Geometry & MOs

Info

ID:	164994
PubChem CID:	74480832
Reduced:	O3N4C20H29 (1)
Stoich.:	A3B4C20D29 (1)
Weight, g/mol:	307.238553
ΔH_f, kcal/mol:	-109.19
Dipole, Da:	7.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.061784
Charge, e:	1

Chem-info

IUPAC name:

3-[[3-(2-methoxyphenyl)-4-methylpentanoyl]amino]propyl-dimethylazanium

Drug info:

PubChemData

Smile

C[NH+](C)CCNC(=O)C1CCC(CC1)CN2C(=O)C3C=CC=CC3=NC2=O

DOS

IR

Vibrations