Geometry & MOs

Info

ID:	81361
PubChem CID:	49854641
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-67.13
Dipole, Da:	2.31
IP(EA), eV:	-8.76(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(3R)-3-[(dimethylamino)methyl]-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(C)C[C@H]1CN(C2=CC=CC=C12)C(=O)CC3=NC(=O)C=C(N3)N4CCOCC4

DOS

IR

Vibrations