Geometry & MOs

Info

ID:	415140
PubChem CID:	135088126
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	369.220498
ΔH_f, kcal/mol:	-80.13
Dipole, Da:	4.62
IP(EA), eV:	-8.88(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1'-[(2-phenylphenyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=CC=N3)N4CCOCC4

DOS

IR

Vibrations