Geometry & MOs

Info

ID:	415758
PubChem CID:	135088758
Reduced:	N2O2C11H12 (2)
Stoich.:	A2B2C11D12 (2)
Weight, g/mol:	415.201968
ΔH_f, kcal/mol:	-7.67
Dipole, Da:	7.53
IP(EA), eV:	-9.66(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C(=O)C3=CC=C(C=C3)C4=NOC(=N4)C5CC5

DOS

IR

Vibrations