Geometry & MOs

Info

ID:	363093
PubChem CID:	127310124
Reduced:	O2N5C20H29 (1)
Stoich.:	A2B5C20D29 (1)
Weight, g/mol:	395.09569
ΔH_f, kcal/mol:	-27.53
Dipole, Da:	6.99
IP(EA), eV:	-9.01(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)C3=CN(N=C3C4CCCCC4)C

DOS

IR

Vibrations