Geometry & MOs

Info

ID:	253620
PubChem CID:	103119608
Reduced:	O2N5C14H21 (1)
Stoich.:	A2B5C14D21 (1)
Weight, g/mol:	282.111676
ΔH_f, kcal/mol:	-29.12
Dipole, Da:	9.25
IP(EA), eV:	-9.57(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-hydroxyphenyl)methyl]-N-methylpyrazolo[1,5-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2=C(N=NN2CCC(C)C)C(=O)O

DOS

IR

Vibrations