Geometry & MOs

Info

ID:	444308
PubChem CID:	135262020
Reduced:	O4N5C24H31 (1)
Stoich.:	A4B5C24D31 (1)
Weight, g/mol:	186.050379
ΔH_f, kcal/mol:	-104.87
Dipole, Da:	5.56
IP(EA), eV:	-8.47(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbonic acid;1,1,4-trifluoro-2-methylbut-2-ene

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)N2CCN(CC2)CC3COC4=CC=CC=C4O3)N5C(=O)CC(C5=O)(C)C

DOS

IR

Vibrations