Geometry & MOs

Info

ID:	435444
PubChem CID:	135191476
Reduced:	NC22H29 (1)
Stoich.:	AB22C29 (1)
Weight, g/mol:	384.181093
ΔH_f, kcal/mol:	110.74
Dipole, Da:	1.66
IP(EA), eV:	-8.39(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(3-amino-4-methanimidoylphenyl)-4-N-cyclopropyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC(C)(C)C#C/C=C/CN(C)CC\1=CC=CC/C1=C\CCC#C

DOS

IR

Vibrations