Geometry & MOs

Info

ID:	444301
PubChem CID:	135261993
Reduced:	O3N6C22H30 (1)
Stoich.:	A3B6C22D30 (1)
Weight, g/mol:	222.031535
ΔH_f, kcal/mol:	-46.11
Dipole, Da:	3.84
IP(EA), eV:	-8.29(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbonic acid;2-(difluoromethyl)-1,1,4-trifluorobut-2-ene

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)N2CCN(CC2)C[C@H]3COC4=CC=CC=C4O3)N5CCN(C5=O)C

DOS

IR

Vibrations