Geometry & MOs

Info

ID:	49922
PubChem CID:	11538169
Reduced:	NO5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	-133.6
Dipole, Da:	5.05
IP(EA), eV:	-8.61(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[8-(2-cyclopropylethyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-methylpyrrole-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)O[C@@H]2[C@@H](N(C2=O)C3=CC=CC=C3)[C@H]([C@H]4CCCC4=O)O

DOS

IR

Vibrations