Geometry & MOs

Info

ID:	417914
PubChem CID:	135103049
Reduced:	N7C16H27 (1)
Stoich.:	A7B16C27 (1)
Weight, g/mol:	609.352634
ΔH_f, kcal/mol:	66.44
Dipole, Da:	2.5
IP(EA), eV:	-8.48(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-11-[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-2-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)CC2=CN=C(N=C2)N(C)C

DOS

IR

Vibrations