Geometry & MOs

Info

ID:	63092
PubChem CID:	26744227
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	353.177313
ΔH_f, kcal/mol:	18.43
Dipole, Da:	0.35
IP(EA), eV:	-9.22(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[(1S,2R)-2-methylcyclohexyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)[C@@H]2C[C@H](CN2CC3=CC=C(C=C3)C4=CC=CC=N4)O

DOS

IR

Vibrations