Geometry & MOs

Info

ID:	414639
PubChem CID:	135087598
Reduced:	NO6C18H23 (1)
Stoich.:	AB6C18D23 (1)
Weight, g/mol:	387.242296
ΔH_f, kcal/mol:	-259.53
Dipole, Da:	3.96
IP(EA), eV:	-9.91(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[3-(2-methylimidazol-1-yl)propyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

C1CN(C[C@@H]([C@@]1(CC2=CC=CC=C2)C(=O)O)O)C(=O)CCCC(=O)O

DOS

IR

Vibrations