Geometry & MOs

Info

ID:	71095
PubChem CID:	48414281
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	-61.39
Dipole, Da:	2.02
IP(EA), eV:	-8.76(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-tert-butylphenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)C)OC(C)C(=O)NCC2=C(NN=C2)C

DOS

IR

Vibrations