Geometry & MOs

Info

ID:	439390
PubChem CID:	135229163
Reduced:	O4N5C18H25 (1)
Stoich.:	A4B5C18D25 (1)
Weight, g/mol:	369.123501
ΔH_f, kcal/mol:	-123.28
Dipole, Da:	3.95
IP(EA), eV:	-9.11(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-(2-cyclopropyl-5-ethylsulfanyl-1-methylimidazol-4-yl)iminomethyl]-5-(trifluoromethyl)pyridin-3-amine

Drug info:

PubChemData

Smile

CCCCC(NC1=NC(=NC=C1OCC2=NC(=CC=C2)C(=O)N)C)OCO

DOS

IR

Vibrations