Geometry & MOs

Info

ID:	126866
PubChem CID:	50982754
Reduced:	N4O5C16H22 (1)
Stoich.:	A4B5C16D22 (1)
Weight, g/mol:	350.185509
ΔH_f, kcal/mol:	-185.25
Dipole, Da:	6.23
IP(EA), eV:	-9.1(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCN1C=NC=C1[C@@H]2[C@H]3[C@H](C(=O)N(C3=O)CC)[C@](N2)(CO)C(=O)OC

DOS

IR

Vibrations