Geometry & MOs

Info

ID:	243193
PubChem CID:	99216821
Reduced:	ClON5C22H32 (1)
Stoich.:	ABC5D22E32 (1)
Weight, g/mol:	410.214033
ΔH_f, kcal/mol:	-13.12
Dipole, Da:	4.34
IP(EA), eV:	-9.04(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)N[C@H]2CCCC3=C2C=NN3C(C)(C)C)Cl

DOS

IR

Vibrations