Geometry & MOs

Info

ID:	436230
PubChem CID:	135195561
Reduced:	N4C9H14 (1)
Stoich.:	A4B9C14 (1)
Weight, g/mol:	177.126598
ΔH_f, kcal/mol:	71.47
Dipole, Da:	2.27
IP(EA), eV:	-9.25(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-7-propan-2-yl-4a,7a-dihydropyrrolo[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=NC2C(C=N1)N=CN2C(C)C

DOS

IR

Vibrations