Geometry & MOs

Info

ID:	438028
PubChem CID:	135227541
Reduced:	NC22H29 (1)
Stoich.:	AB22C29 (1)
Weight, g/mol:	311.1674
ΔH_f, kcal/mol:	56.01
Dipole, Da:	3.05
IP(EA), eV:	-7.58(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(2E,5Z)-octa-2,5-dien-7-yn-3-yl]phenanthren-9-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2C=C(C=C1)N(C3=C2C=C(C=C3)C(C)(C)C)C

DOS

IR

Vibrations