Geometry & MOs

Info

ID:	423024
PubChem CID:	135118781
Reduced:	O2N5C15H23 (1)
Stoich.:	A2B5C15D23 (1)
Weight, g/mol:	403.189592
ΔH_f, kcal/mol:	-53.87
Dipole, Da:	1.04
IP(EA), eV:	-9.23(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

Drug info:

PubChemData

Smile

CCC1=NC=CN1CCC(=O)N(CCO)CC2=CN=C(N2)C

DOS

IR

Vibrations