Geometry & MOs

Info

ID:	435624
PubChem CID:	135191966
Reduced:	ClO2N4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	484.211055
ΔH_f, kcal/mol:	-11.96
Dipole, Da:	2.79
IP(EA), eV:	-9.24(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-3-ethyl-N-[(3R)-5-methyl-4-oxo-7-pyrazol-1-yl-2,3-dihydro-1,5-benzoxazepin-3-yl]-2H-pyran-4-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)CC2=CC=CC=C2)C(=O)N[C@H]3CCC4=C(C=C(C=C4)Cl)NC3=O

DOS

IR

Vibrations