Geometry & MOs

Info

ID:	417361
PubChem CID:	135092736
Reduced:	N2O2C17H24 (1)
Stoich.:	A2B2C17D24 (1)
Weight, g/mol:	395.206973
ΔH_f, kcal/mol:	11.63
Dipole, Da:	6.23
IP(EA), eV:	-7.58(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyrazin-2-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2C[C@H]3CN([C@@H](C2)COC3)C)C

DOS

IR

Vibrations