Geometry & MOs

Info

ID:	155599
PubChem CID:	56366184
Reduced:	N4O5C23H24 (1)
Stoich.:	A4B5C23D24 (1)
Weight, g/mol:	467.118274
ΔH_f, kcal/mol:	-150.73
Dipole, Da:	2.39
IP(EA), eV:	-9.79(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chlorophenyl)methyl]-3-methyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]thieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCCC(=O)NCC4=CC=NC=C4

DOS

IR

Vibrations