Geometry & MOs

Info

ID:	360215
PubChem CID:	127300858
Reduced:	OSN8C16H20 (1)
Stoich.:	ABC8D16E20 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	99.04
Dipole, Da:	2.56
IP(EA), eV:	-9.06(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCCN(CC2)C(=O)C3=CSC(=N3)C4=NC=NN4

DOS

IR

Vibrations