Geometry & MOs

Info

ID:	177987
PubChem CID:	76260749
Reduced:	O2S2N4C23H26 (1)
Stoich.:	A2B2C4D23E26 (1)
Weight, g/mol:	371.232125
ΔH_f, kcal/mol:	-8.69
Dipole, Da:	5.76
IP(EA), eV:	-8.13(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)methyl]-N-pyridin-2-ylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=CC(=C2)NC(=O)CCSCC3=NC(=O)C4C5=C(CCC5)SC4=N3

DOS

IR

Vibrations