Geometry & MOs

Info

ID:	435191
PubChem CID:	135183769
Reduced:	O5N6H24C26 (1)
Stoich.:	A5B6C24D26 (1)
Weight, g/mol:	142.09938
ΔH_f, kcal/mol:	-48.53
Dipole, Da:	5.84
IP(EA), eV:	-8.57(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylbut-1-ene;prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C=NN1)C(=O)NC2=CC3=C(C=C2)OC[C@@H](C(=O)N3C)NC(=O)C4=NOC(=C4)CC5=CC=CC=C5

DOS

IR

Vibrations