Geometry & MOs

Info

ID:	307678
PubChem CID:	125308014
Reduced:	O3N5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	437.24269
ΔH_f, kcal/mol:	-55.01
Dipole, Da:	5.14
IP(EA), eV:	-8.98(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-2-[(4aR)-4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl]-5-(furan-2-yl)-3,4-dihydropyrazol-3-yl]-3-cyclohexylpropanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CCC(=O)N[C@H]2CC(=NN2C3=NC(=O)[C@@H]4CCCCC4=N3)C5=CC=CO5

DOS

IR

Vibrations