Geometry & MOs

Info

ID:	363086
PubChem CID:	127310117
Reduced:	O2N6C21H28 (1)
Stoich.:	A2B6C21D28 (1)
Weight, g/mol:	393.08004
ΔH_f, kcal/mol:	-2.83
Dipole, Da:	2.47
IP(EA), eV:	-9.16(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CCC(C)N1C2=NC(=CC(=C2C=N1)C(=O)N3CCOC(C3)CN4C=C(C=N4)C)C

DOS

IR

Vibrations