Geometry & MOs

Info

ID:	194150
PubChem CID:	78491507
Reduced:	ON3C17H30 (1)
Stoich.:	AB3C17D30 (1)
Weight, g/mol:	372.228717
ΔH_f, kcal/mol:	-35.74
Dipole, Da:	5.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.146750
Charge, e:	1

Chem-info

IUPAC name:

[1-[4-(dimethylamino)phenyl]-2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC(C)CC(=O)NCC(C1=CC=C(C=C1)N(C)C)[NH+](C)C

DOS

IR

Vibrations