Geometry & MOs

Info

ID:	416208
PubChem CID:	135089218
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	360.161997
ΔH_f, kcal/mol:	-18.77
Dipole, Da:	2.78
IP(EA), eV:	-8.75(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethylamino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C(=CC=N1)C(=O)N2C[C@H]3CN([C@@H](C2)COC3)CCC4=CC=CC=C4

DOS

IR

Vibrations