Geometry & MOs

Info

ID:	435446
PubChem CID:	135191478
Reduced:	N3C7H11 (1)
Stoich.:	A3B7C11 (1)
Weight, g/mol:	577.283509
ΔH_f, kcal/mol:	44.6
Dipole, Da:	2.47
IP(EA), eV:	-8.76(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(3-amino-4-methanimidoyl-1-methylcyclohexa-2,4-dien-1-yl)-5-(1-butoxyethyl)-4-N-cyclopropyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1C=C(C(=CC1N)N)C=N

DOS

IR

Vibrations