Geometry & MOs

Info

ID:	194037
PubChem CID:	78472362
Reduced:	ON2C20H31 (1)
Stoich.:	AB2C20D31 (1)
Weight, g/mol:	261.074956
ΔH_f, kcal/mol:	-36.61
Dipole, Da:	8.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.982648
Charge, e:	0

Chem-info

IUPAC name:

4-(dimethylaminomethylidene)-3-(4-nitrophenyl)-1,2-oxazol-5-one

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2CC[NH+](CC2)CC3=CC=CC(=C3)C

DOS

IR

Vibrations