Geometry & MOs

Info

ID:	414915
PubChem CID:	135087887
Reduced:	ON4C15H24 (1)
Stoich.:	AB4C15D24 (1)
Weight, g/mol:	385.163771
ΔH_f, kcal/mol:	-44.98
Dipole, Da:	4.88
IP(EA), eV:	-8.41(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C3=NC(=NC(=C3)C)N)O

DOS

IR

Vibrations