Geometry & MOs

Info

ID:	225147
PubChem CID:	85742008
Reduced:	N8O10C31H50 (1)
Stoich.:	A8B10C31D50 (1)
Weight, g/mol:	399.173548
ΔH_f, kcal/mol:	-493.96
Dipole, Da:	8.64
IP(EA), eV:	-9.91(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-bis(pyridin-2-ylmethyl)pyren-1-amine

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)N1CCCC1C(=O)NC(C)C(=O)N2CCCC2C(=O)O)NC(=O)C(CO)NC(=O)C3CCCN3

DOS

IR

Vibrations