Geometry & MOs

Info

ID:	248033
PubChem CID:	103078377
Reduced:	N6C11H18 (1)
Stoich.:	A6B11C18 (1)
Weight, g/mol:	260.127326
ΔH_f, kcal/mol:	69.55
Dipole, Da:	4.52
IP(EA), eV:	-7.81(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-amino-1-methylpyrazol-3-yl)amino]-2-phenylacetate

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CCCNC2=NN(C=C2N)C

DOS

IR

Vibrations