Geometry & MOs

Info

ID:	419442
PubChem CID:	135108188
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	529.30529
ΔH_f, kcal/mol:	-107.61
Dipole, Da:	3.75
IP(EA), eV:	-9.99(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,17R,18S)-5-methoxy-12-[(1-phenylpyrazol-4-yl)methyl]-7-oxa-12,15,22-triazatetracyclo[15.5.1.12,6.018,22]tetracosa-2(24),3,5-trien-14-one

Drug info:

PubChemData

Smile

COCCC(=O)N[C@H]1COC[C@H]1CC2=CC=NC=C2

DOS

IR

Vibrations