Geometry & MOs

Info

ID:	140652
PubChem CID:	52737310
Reduced:	N2O4C27H30 (1)
Stoich.:	A2B4C27D30 (1)
Weight, g/mol:	413.279075
ΔH_f, kcal/mol:	-144.47
Dipole, Da:	6.82
IP(EA), eV:	-8.87(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(carbamoylamino)-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-methylpropyl]-3-(1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

CC[C@@]1(CCC(=O)NC1=O)C2=CC=C(C=C2)NC(=O)CC3=COC4=C3C=C(C(=C4)C)C(C)C

DOS

IR

Vibrations