Geometry & MOs

Info

ID:	448944
PubChem CID:	135294641
Reduced:	BrN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	311.220892
ΔH_f, kcal/mol:	-93.16
Dipole, Da:	1.12
IP(EA), eV:	-9.15(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[2-tert-butyl-4-(methoxymethyl)pyrazol-3-yl]ethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2=C(C=CC(=C2)Br)C(C1)NC

DOS

IR

Vibrations