Geometry & MOs

Info

ID:	266578
PubChem CID:	103572514
Reduced:	SN4C16H24 (1)
Stoich.:	AB4C16D24 (1)
Weight, g/mol:	397.07634
ΔH_f, kcal/mol:	61.01
Dipole, Da:	3.1
IP(EA), eV:	-8.95(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopropyl-N-ethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)C(C2=NC(=C(S2)C)CC)NC3CC3

DOS

IR

Vibrations