Geometry & MOs

Info

ID:	330992
PubChem CID:	127248399
Reduced:	SN3O3C25H27 (1)
Stoich.:	AB3C3D25E27 (1)
Weight, g/mol:	427.204196
ΔH_f, kcal/mol:	-49.13
Dipole, Da:	3.39
IP(EA), eV:	-8.79(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)CN3CCOC(C3)C4=C(SC5=C4C=CC=N5)C(=O)NC(C)C

DOS

IR

Vibrations