Geometry & MOs

Info

ID:	160774
PubChem CID:	57389739
Reduced:	ON4C23H30 (1)
Stoich.:	AB4C23D30 (1)
Weight, g/mol:	480.207388
ΔH_f, kcal/mol:	11.47
Dipole, Da:	2.21
IP(EA), eV:	-8.37(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[5-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-3H-indazol-3-amine

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C(=NC=N2)OCCN3CCCCCC3)CC4=CC=CC=C4)C

DOS

IR

Vibrations