Geometry & MOs

Info

ID:	16325
PubChem CID:	464531
Reduced:	ON5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	335.17461
ΔH_f, kcal/mol:	69.42
Dipole, Da:	1.31
IP(EA), eV:	-8.94(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-7-(pyrrolidin-1-ylmethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=C3C(=NC=C2)N(C4=C(C=CC=N4)C(=O)N3)C5CC5

DOS

IR

Vibrations