Geometry & MOs

Info

ID:	233874
PubChem CID:	92126154
Reduced:	OSN5C24H29 (1)
Stoich.:	ABC5D24E29 (1)
Weight, g/mol:	406.236876
ΔH_f, kcal/mol:	5.15
Dipole, Da:	3.98
IP(EA), eV:	-8.81(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-3,4-dihydro-1H-isochromene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(CCCC2)C(=N1)N3CCC(CC3)NC(=O)CSC4=CNC5=CC=CC=C54

DOS

IR

Vibrations