Geometry & MOs

Info

ID:	300436
PubChem CID:	121281571
Reduced:	SN4O6H16C19 (1)
Stoich.:	AB4C6D16E19 (1)
Weight, g/mol:	361.98777
ΔH_f, kcal/mol:	-107.84
Dipole, Da:	4.45
IP(EA), eV:	-8.82(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromo-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate

Drug info:

PubChemData

Smile

C1CC1C2=NOC(=N2)C3=C(SC4=C3CCOC4)NC(=O)C5=C(N=CC=C5)OC(=O)O

DOS

IR

Vibrations