Geometry & MOs

Info

ID:	232572
PubChem CID:	87576446
Reduced:	ClOSiN4C16H29 (1)
Stoich.:	ABCD4E16F29 (1)
Weight, g/mol:	179.97859
ΔH_f, kcal/mol:	-95.73
Dipole, Da:	2.84
IP(EA), eV:	-8.84(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-bromobut-2-enoic acid;methane

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC(C)(C)C1CNC2=C1C(=NC(=N2)N)Cl

DOS

IR

Vibrations