Geometry & MOs

Info

ID:	306109
PubChem CID:	125001657
Reduced:	O2N5C19H19 (1)
Stoich.:	A2B5C19D19 (1)
Weight, g/mol:	349.247775
ΔH_f, kcal/mol:	33.41
Dipole, Da:	7.19
IP(EA), eV:	-9.13(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-1-(oxan-4-yl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C2N1C[C@H](N(C2)C(=O)C3=CN=NC=C3)C4=CC=CC=C4OC

DOS

IR

Vibrations