Geometry & MOs

Info

ID:	363341
PubChem CID:	127310870
Reduced:	ON6C19H26 (1)
Stoich.:	AB6C19D26 (1)
Weight, g/mol:	368.23246
ΔH_f, kcal/mol:	58.76
Dipole, Da:	3.99
IP(EA), eV:	-9.0(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropylpyrimidin-4-yl)-[4-[(1-propylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2CCCN(CC2)C(=O)C3=NC(=NC=C3)C4CC4

DOS

IR

Vibrations