Geometry & MOs

Info

ID:	243541
PubChem CID:	99226698
Reduced:	FO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	392.23246
ΔH_f, kcal/mol:	-73.54
Dipole, Da:	4.21
IP(EA), eV:	-8.55(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(dimethylamino)ethyl]-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]indole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=CC(=C1)F)OC)NC(=O)C2=CN(C3=CC=CC=C32)CCN(C)C

DOS

IR

Vibrations