Geometry & MOs

Info

ID:	322726
PubChem CID:	126670910
Reduced:	ClFO3N5H27C30 (1)
Stoich.:	ABC3D5E27F30 (1)
Weight, g/mol:	302.120132
ΔH_f, kcal/mol:	-56.21
Dipole, Da:	6.74
IP(EA), eV:	-8.81(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-amino-3-propan-2-ylthieno[3,2-c]pyridin-7-yl)pyrazol-1-yl]ethanol

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(C=C3C(=O)C)CC(=O)N4[C@@H](C[C@@H]5C4C5)C(=O)NCC6=C(C(=CC=C6)Cl)F

DOS

IR

Vibrations