Geometry & MOs

Info

ID:	416742
PubChem CID:	135090275
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	348.181093
ΔH_f, kcal/mol:	-44.61
Dipole, Da:	6.69
IP(EA), eV:	-8.08(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(1-phenyltetrazol-5-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)CC(=O)N3C[C@H]([C@@H](C3)O)CC4=NNC(=C4)C

DOS

IR

Vibrations