Geometry & MOs

Info

ID:	415484
PubChem CID:	135088479
Reduced:	N3O3C24H25 (1)
Stoich.:	A3B3C24D25 (1)
Weight, g/mol:	311.17461
ΔH_f, kcal/mol:	-36.7
Dipole, Da:	9.59
IP(EA), eV:	-8.55(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CC1C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4C[C@H]([C@@H](C4)O)CC5=CC=CC=N5

DOS

IR

Vibrations