Geometry & MOs

Info

ID:	442802
PubChem CID:	135256288
Reduced:	BrN2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	350.247047
ΔH_f, kcal/mol:	22.78
Dipole, Da:	3.2
IP(EA), eV:	-9.5(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,9-dimethyl-8-methylidene-3,4,7-triazatetracyclo[12.7.1.02,6.016,21]docosa-1(22),2(6),4,14,16(21)-pentaen-13-amine

Drug info:

PubChemData

Smile

C=CCC(C1=NC2=C(CCCC2)C(=C1)Br)N

DOS

IR

Vibrations