Geometry & MOs

Info

ID:	422470
PubChem CID:	135117885
Reduced:	N4C19H26 (1)
Stoich.:	A4B19C26 (1)
Weight, g/mol:	477.262757
ΔH_f, kcal/mol:	30.16
Dipole, Da:	3.15
IP(EA), eV:	-8.89(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,17R,18S)-12-benzoyl-5-methoxy-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

CC1=CC=CC=C1CN2CCC(C2)CNC3=NC(=CC(=N3)C)C

DOS

IR

Vibrations