Geometry & MOs

Info

ID:	362556
PubChem CID:	127308211
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	392.199445
ΔH_f, kcal/mol:	-79.34
Dipole, Da:	5.99
IP(EA), eV:	-8.94(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)NC3=CC=C(C=C3)C(=O)NC)C

DOS

IR

Vibrations