Geometry & MOs

Info

ID:	144838
PubChem CID:	53422505
Reduced:	O2N3C9H16 (1)
Stoich.:	A2B3C9D16 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-43.92
Dipole, Da:	4.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.885222
Charge, e:	0

Chem-info

IUPAC name:

4-phenylbut-3-en-2-yl 2-methylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=C[N+](=CO1)NC(=O)NC

DOS

IR

Vibrations