Geometry & MOs

Info

ID:	90068
PubChem CID:	49966155
Reduced:	N2O3C18H18 (1)
Stoich.:	A2B3C18D18 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-78.67
Dipole, Da:	9.17
IP(EA), eV:	-9.16(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[[4-(dimethylamino)phenyl]methyl]-4-hydroxypent-3-en-2-one

Drug info:

PubChemData

Smile

C1CN(C(=O)N(C1)C2=CC=C(C=C2)C(=O)O)CC3=CC=CC=C3

DOS

IR

Vibrations