Geometry & MOs

Info

ID:	193529
PubChem CID:	78404032
Reduced:	SO3N4H16C18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	384.231397
ΔH_f, kcal/mol:	-0.77
Dipole, Da:	5.77
IP(EA), eV:	-9.08(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2,7,9-trimethyl-1,2,3,5-tetrahydropyrazolo[1,5-c]quinazoline

Drug info:

PubChemData

Smile

C1=CC2C(=NC(=S)N3C2=NC(C3=O)CCC(=O)NCC4=CC=CO4)C=C1

DOS

IR

Vibrations