Geometry & MOs

Info

ID:	238566
PubChem CID:	92741935
Reduced:	N2O2C14H17 (2)
Stoich.:	A2B2C14D17 (2)
Weight, g/mol:	361.153875
ΔH_f, kcal/mol:	-134.81
Dipole, Da:	4.87
IP(EA), eV:	-8.16(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-5-oxo-3-phenyl-1H-triazolo[1,5-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)[C@]1(CN2C3=CC=CC=C3C(=C2C(=O)N1CC4=CC(=CC=C4)OC)NC(=O)C)C

DOS

IR

Vibrations