Geometry & MOs

Info

ID:	434051
PubChem CID:	135174204
Reduced:	OF3N3C24H24 (1)
Stoich.:	AB3C3D24E24 (1)
Weight, g/mol:	414.208947
ΔH_f, kcal/mol:	-79.21
Dipole, Da:	3.4
IP(EA), eV:	-9.12(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-N-[[3-ethoxy-5-[(pyrrolidin-3-ylmethylamino)methyl]phenyl]methyl]-1,3-thiazole-2-carboxamide

Drug info:

PubChemData

Smile

C=CCOC1=CC(=CC(=C1)/C=C/C2=C(C=C(C=C2)C(F)(F)F)C#N)CNCC3CNC3

DOS

IR

Vibrations