Geometry & MOs

Info

ID:	396061
PubChem CID:	135027332
Reduced:	O3N5C14H15 (1)
Stoich.:	A3B5C14D15 (1)
Weight, g/mol:	302.163043
ΔH_f, kcal/mol:	-16.57
Dipole, Da:	7.54
IP(EA), eV:	-9.09(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(hydroxymethyl)-1-methyl-3-[(2-oxoazepan-1-yl)methyl]indol-2-one

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C1=O)C)CN3C(=NN=N3)C(=O)OC

DOS

IR

Vibrations