Geometry & MOs

Info

ID:	43784
PubChem CID:	10321787
Reduced:	N3O4H25C27 (1)
Stoich.:	A3B4C25D27 (1)
Weight, g/mol:	455.206973
ΔH_f, kcal/mol:	-43.82
Dipole, Da:	1.7
IP(EA), eV:	-8.26(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenoxy-N-[5-[2-(propan-2-ylamino)pyrimidin-4-yl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NCC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)NC(=O)C4=C(ON=C4)C

DOS

IR

Vibrations