Geometry & MOs

Info

ID:	316137
PubChem CID:	126630191
Reduced:	NC10H17 (1)
Stoich.:	AB10C17 (1)
Weight, g/mol:	398.174276
ΔH_f, kcal/mol:	5.1
Dipole, Da:	1.77
IP(EA), eV:	-7.93(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[[2-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-1,3-dihydroinden-2-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1/C(=C\NC)/C=CC1(C)C

DOS

IR

Vibrations