Geometry & MOs

Info

ID:	418682
PubChem CID:	135106545
Reduced:	NO3C20H31 (1)
Stoich.:	AB3C20D31 (1)
Weight, g/mol:	374.174276
ΔH_f, kcal/mol:	-153.67
Dipole, Da:	3.38
IP(EA), eV:	-9.13(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-1,2-oxazol-5-yl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(CC(C)C)C(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O

DOS

IR

Vibrations