Geometry & MOs

Info

ID:	322879
PubChem CID:	126671515
Reduced:	SN6O10C54H62 (1)
Stoich.:	AB6C10D54E62 (1)
Weight, g/mol:	217.09636
ΔH_f, kcal/mol:	-279.3
Dipole, Da:	13.18
IP(EA), eV:	-8.36(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

Drug info:

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)COC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCCOCCOC4=CC5=C(C=C4)N(C6=CC(=CC(=C65)C(=O)N)C7=C(ON=C7C)C)CC8=CC=CCC8)O

DOS

IR

Vibrations