Geometry & MOs

Info

ID:	165861
PubChem CID:	74606095
Reduced:	N3O3C16H27 (1)
Stoich.:	A3B3C16D27 (1)
Weight, g/mol:	368.14193
ΔH_f, kcal/mol:	-171.62
Dipole, Da:	4.55
IP(EA), eV:	-9.53(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

CCCCN(C)C(=O)CCN1C2CCCCC2C(=O)NC1=O

DOS

IR

Vibrations