Geometry & MOs

Info

ID:	182019
PubChem CID:	76828992
Reduced:	ON7C20H23 (1)
Stoich.:	AB7C20D23 (1)
Weight, g/mol:	380.170922
ΔH_f, kcal/mol:	92.33
Dipole, Da:	6.27
IP(EA), eV:	-9.19(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N-(1,3-oxazol-4-ylmethyl)-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaen-12-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1C2=NC=C3N2C4=CC=NC4N=C3)C(=O)N5CCC(C5)C#N

DOS

IR

Vibrations