Geometry & MOs

Info

ID:	141083
PubChem CID:	52815652
Reduced:	O4N5C19H23 (1)
Stoich.:	A4B5C19D23 (1)
Weight, g/mol:	461.22071
ΔH_f, kcal/mol:	-52.07
Dipole, Da:	9.73
IP(EA), eV:	-9.36(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[5-[[4-(3-chlorophenyl)oxane-4-carbonyl]amino]-2-methoxyphenoxy]ethyl-diethylazanium

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CCN2C=C(N=C2C)[N+](=O)[O-])C(=O)N3CCCC3

DOS

IR

Vibrations