Geometry & MOs

Info

ID:	195641
PubChem CID:	78714416
Reduced:	N2O2C23H27 (1)
Stoich.:	A2B2C23D27 (1)
Weight, g/mol:	373.212732
ΔH_f, kcal/mol:	-13.51
Dipole, Da:	4.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.087406
Charge, e:	1

Chem-info

IUPAC name:

(4-ethoxyphenyl)methyl-[1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylazanium

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C[NH+](C)C(C)C(=O)NC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations