Geometry & MOs

Info

ID:	306362
PubChem CID:	125003922
Reduced:	ON4C20H22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	364.211055
ΔH_f, kcal/mol:	25.55
Dipole, Da:	6.4
IP(EA), eV:	-8.87(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4R)-4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-3-oxopropyl]-5-hydroxypyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(C(=N1)[C@@H]2CCCN(C2)C(=O)C3=NC4=CC=CC=C4C=C3)C

DOS

IR

Vibrations