Geometry & MOs

Info

ID:	363094
PubChem CID:	127310125
Reduced:	BrO2N5C16H22 (1)
Stoich.:	AB2C5D16E22 (1)
Weight, g/mol:	351.147744
ΔH_f, kcal/mol:	-16.51
Dipole, Da:	8.61
IP(EA), eV:	-8.99(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)C3=NNC(=C3Br)C(C)C

DOS

IR

Vibrations