Geometry & MOs

Info

ID:	302148
PubChem CID:	124349687
Reduced:	O3N5C23H31 (1)
Stoich.:	A3B5C23D31 (1)
Weight, g/mol:	333.184112
ΔH_f, kcal/mol:	-118.4
Dipole, Da:	6.16
IP(EA), eV:	-8.87(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4S,6aS)-2-benzylspiro[1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,2'-1,3-dihydroquinazoline]-4'-one

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCN2CCC[C@@H]2C1)N3CC[C@]4(CCC3=O)NC5=CC=CC=C5C(=O)N4

DOS

IR

Vibrations