Geometry & MOs

Info

ID:	71033
PubChem CID:	48414202
Reduced:	O3N5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	351.05824
ΔH_f, kcal/mol:	-91.67
Dipole, Da:	8.04
IP(EA), eV:	-8.92(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3N4C2(CCC4=O)C

DOS

IR

Vibrations