Geometry & MOs

Info

ID:	153231
PubChem CID:	56312393
Reduced:	NOC8H9 (3)
Stoich.:	ABC8D9 (3)
Weight, g/mol:	444.23727
ΔH_f, kcal/mol:	-52.53
Dipole, Da:	2.72
IP(EA), eV:	-8.84(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-methyl-2-oxo-6-[[2-(pentan-3-ylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC3=NC=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations