Geometry & MOs

Info

ID:	314269
PubChem CID:	126621096
Reduced:	ClO2N5H26C27 (1)
Stoich.:	AB2C5D26E27 (1)
Weight, g/mol:	222.144222
ΔH_f, kcal/mol:	45.87
Dipole, Da:	1.41
IP(EA), eV:	-9.01(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4-(3,3-dimethylbut-1-en-2-yl)thiophene

Drug info:

PubChemData

Smile

CC1CC(=CC=C1Cl)C2=CC=C(C=C2)C(=O)N3C[C@@H]4CN(C[C@H]4C3)C(=O)C5=CC6=NNN=C6C=C5

DOS

IR

Vibrations