Geometry & MOs

Info

ID:	423303
PubChem CID:	135119257
Reduced:	N2O5C24H30 (1)
Stoich.:	A2B5C24D30 (1)
Weight, g/mol:	387.146203
ΔH_f, kcal/mol:	-175.62
Dipole, Da:	8.26
IP(EA), eV:	-8.76(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(5-chloro-2-methoxyphenyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CC[C@H]([C@@](C3)(CC4CC4)C(=O)O)O

DOS

IR

Vibrations