Geometry & MOs

Info

ID:	417612
PubChem CID:	135102240
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	377.206304
ΔH_f, kcal/mol:	-89.62
Dipole, Da:	10.04
IP(EA), eV:	-8.56(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S,6R,7S)-3-(2-aminoethyl)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OC(C)C(=O)N(CCO)CC2=CN=CN2C)C

DOS

IR

Vibrations