Geometry & MOs

Info

ID:	283974
PubChem CID:	104023117
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	-13.57
Dipole, Da:	2.79
IP(EA), eV:	-7.74(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine

Drug info:

PubChemData

Smile

COC1=NC(=C(C=C1)N)N2CCCOC3=CC=CC=C32

DOS

IR

Vibrations