Geometry & MOs

Info

ID:	41388
PubChem CID:	8145774
Reduced:	ClSN5C21H24 (1)
Stoich.:	ABC5D21E24 (1)
Weight, g/mol:	380.197417
ΔH_f, kcal/mol:	86.18
Dipole, Da:	6.99
IP(EA), eV:	-8.36(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(1R)-1-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=NN(C2=S)CN3CCN(CC3)C4=CC(=CC=C4)Cl)C

DOS

IR

Vibrations