Geometry & MOs

Info

ID:	423745
PubChem CID:	135120149
Reduced:	N5O6C28H39 (1)
Stoich.:	A5B6C28D39 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	-239.67
Dipole, Da:	5.95
IP(EA), eV:	-8.96(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CCC1=NC(=C(O1)C(=O)N2CCCC(=O)N[C@H](C(=O)N([C@H](C(=O)NCCC2)C)C)CC3=CC=C(C=C3)OC)C

DOS

IR

Vibrations