Geometry & MOs

Info

ID:	335826
PubChem CID:	127254688
Reduced:	ON8C14H18 (1)
Stoich.:	AB8C14D18 (1)
Weight, g/mol:	338.210661
ΔH_f, kcal/mol:	93.24
Dipole, Da:	4.39
IP(EA), eV:	-9.53(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-propan-2-ylindol-3-yl)ethyl]-4-pyrazol-1-ylbutanamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NCC1=NN=C2N1C=CC=C2)N3C=NN=N3

DOS

IR

Vibrations