Geometry & MOs

Info

ID:	420067
PubChem CID:	135110978
Reduced:	NOC5H6 (4)
Stoich.:	ABC5D6 (4)
Weight, g/mol:	363.176919
ΔH_f, kcal/mol:	-98.25
Dipole, Da:	2.94
IP(EA), eV:	-9.14(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2C[C@H]([C@@H](C2)O)CC3=CC(=NO3)C)N4CCNC4=O

DOS

IR

Vibrations