Geometry & MOs

Info

ID:	51640
PubChem CID:	12014345
Reduced:	NOH21C25 (1)
Stoich.:	ABC21D25 (1)
Weight, g/mol:	392.163711
ΔH_f, kcal/mol:	131.24
Dipole, Da:	5.04
IP(EA), eV:	-8.05(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-(14-oxa-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15,17,19-nonaen-11-yl)aniline

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C#CC2=CC=CC=C2C(C#CC3=CC=CC=C3)O

DOS

IR

Vibrations