Geometry & MOs

Info

ID:	46594
PubChem CID:	10525462
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	407.146532
ΔH_f, kcal/mol:	-98.23
Dipole, Da:	6.2
IP(EA), eV:	-8.9(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[3-fluoro-4-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]phenyl]carbamate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN2[C@H](C(=O)NC3=C2C=CC(=C3)C(=O)N)CC4CCCCC4

DOS

IR

Vibrations